2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide

C26H36N4O2 — CID 110083387

IUPAC2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(C)nc(C2CCCN(C(=O)Cc3ccc(C)cc3)C2)nc1C
InChIInChI=1S/C26H36N4O2/c1-6-29(7-2)25(32)16-23-19(4)27-26(28-20(23)5)22-9-8-14-30(17-22)24(31)15-21-12-10-18(3)11-13-21/h10-13,22H,6-9,14-17H2,1-5H3
InChIKeyHVMWTPOBOBLMLK-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.76
Rot. Bonds7

About 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide

2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide (PubChem CID 110083387) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide
PubChem CID110083387
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(C)nc(C2CCCN(C(=O)Cc3ccc(C)cc3)C2)nc1C
InChIInChI=1S/C26H36N4O2/c1-6-29(7-2)25(32)16-23-19(4)27-26(28-20(23)5)22-9-8-14-30(17-22)24(31)15-21-12-10-18(3)11-13-21/h10-13,22H,6-9,14-17H2,1-5H3
InChIKeyHVMWTPOBOBLMLK-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N,N-dimethylacetamide
CID 124991959
N-cyclohexyl-2-[4,6-dimethyl-2-[(3S)-1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]pyrimidin-5-yl]acetamide
CID 124973262
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
2-[2-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N,N-diethylacetamide
CID 124983234
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-[3-[4,6-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110083265
N,N-diethyl-2-[2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088508
2-[2-[(3S)-1-benzylpiperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 124980298
2-[2-[(3R)-1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N,N-diethylacetamide
CID 124978021
2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 110083249
1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92622816
2-[4,6-dimethyl-2-[(3R)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125011438

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide (CID 110083387) is 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(C)nc(C2CCCN(C(=O)Cc3ccc(C)cc3)C2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide?
The InChIKey is HVMWTPOBOBLMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-6-29(7-2)25(32)16-23-19(4)27-26(28-20(23)5)22-9-8-14-30(17-22)24(31)15-21-12-10-18(3)11-13-21/h10-13,22H,6-9,14-17H2,1-5H3.
What are the key properties of 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide?
2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide has a molecular weight of 436.60 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrimidin-5-yl]-N,N-diethylacetamide is sourced from PubChem (CID 110083387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).